CID 75487518

4,4,5,5-tetramethyl-2-(5-nitronaphthalen-1-yl)-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C16H18BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C=CC=C(C3=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C16H18BNO4/c1-15(2)16(3,4)22-17(21-15)13-9-5-8-12-11(13)7-6-10-14(12)18(19)20/h5-10H,1-4H3
InChIKey
UXFZKGUNTVLPMT-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(5-nitronaphthalen-1-yl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

299.13287 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.14015 165.3
[M+Na]+ 322.12209 173.9
[M-H]- 298.12559 174.9
[M+NH4]+ 317.16669 184.1
[M+K]+ 338.09603 169.2
[M+H-H2O]+ 282.13013 164.2
[M+HCOO]- 344.13107 185.9
[M+CH3COO]- 358.14672 198.5
[M+Na-2H]- 320.10754 173.5
[M]+ 299.13232 167.4
[M]- 299.13342 167.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.